4-(trifluoromethyl)benzimidazol-2-one

C8H3F3N2O — CID 69291375

IUPAC4-(trifluoromethyl)benzimidazol-2-one
SMILESO=C1N=c2cccc(C(F)(F)F)c2=N1
InChIInChI=1S/C8H3F3N2O/c9-8(10,11)4-2-1-3-5-6(4)13-7(14)12-5/h1-3H
InChIKeyZGCYCTLGSHDZLC-UHFFFAOYSA-N
MW200.12 g/mol
LogP1.08
Rot. Bonds

About 4-(trifluoromethyl)benzimidazol-2-one

4-(trifluoromethyl)benzimidazol-2-one (PubChem CID 69291375) has the molecular formula C8H3F3N2O and a molecular weight of 200.12 g/mol. Its IUPAC name is 4-(trifluoromethyl)benzimidazol-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)benzimidazol-2-one
PubChem CID69291375
Molecular FormulaC8H3F3N2O
Molecular Weight200.12 g/mol
Exact Mass200.02
IUPAC Name4-(trifluoromethyl)benzimidazol-2-one
SMILESO=C1N=c2cccc(C(F)(F)F)c2=N1
InChIInChI=1S/C8H3F3N2O/c9-8(10,11)4-2-1-3-5-6(4)13-7(14)12-5/h1-3H
InChIKeyZGCYCTLGSHDZLC-UHFFFAOYSA-N
XLogP1.08
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)benzimidazol-2-one?
The IUPAC name of 4-(trifluoromethyl)benzimidazol-2-one (CID 69291375) is 4-(trifluoromethyl)benzimidazol-2-one.
What is the SMILES notation for 4-(trifluoromethyl)benzimidazol-2-one?
The canonical SMILES for 4-(trifluoromethyl)benzimidazol-2-one is O=C1N=c2cccc(C(F)(F)F)c2=N1.
What is the InChIKey of 4-(trifluoromethyl)benzimidazol-2-one?
The InChIKey is ZGCYCTLGSHDZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N2O/c9-8(10,11)4-2-1-3-5-6(4)13-7(14)12-5/h1-3H.
What are the key properties of 4-(trifluoromethyl)benzimidazol-2-one?
4-(trifluoromethyl)benzimidazol-2-one has a molecular weight of 200.12 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)benzimidazol-2-one is sourced from PubChem (CID 69291375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).